ethyl 2,4-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-mesylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C15H23N3O5S MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C15H23N3O5S/c1-5-23-15(20)12-10(2)13(16-11(12)3)14(19)17-6-8-18(9-7-17)24(4,21)22/h16H,5-9H2,1-4H3